SCHEMBL2800416

SCHEMBL2800416

CC(C)(C)N1CCC(N(CCCc2ccccc2)C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.48
PKM P14618 1/20 0.48
MAOA P21397 5/20 0.47
MAOB P27338 5/20 0.47
NISCH Q9Y2I1 2/20 0.47
AGTR2 P50052 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17282047 0.82 SLC6A2 (0.56) OPRM1AGTR2
SCHEMBL5036916 0.81 OPRM1 (0.45) OPRM1PKMMAOAMAOBNISCH
SCHEMBL5036802 0.79 DCUN1D1 (0.47) OPRM1PKMMAOAMAOB
SCHEMBL2799018 0.76 AGTR2 (0.43) OPRM1PKMMAOAMAOBNISCH
SCHEMBL17281931 0.76 CHIA (0.53) OPRM1PKM
SCHEMBL22289769 0.75 C5AR1 (0.46) OPRM1PKMMAOAMAOBNISCH
SCHEMBL11999861 0.75 HSD11B1 (0.49) OPRM1PKMMAOAMAOBNISCH
SCHEMBL13050349 0.73 GRIN2B (0.49) OPRM1AGTR2
SCHEMBL21569748 0.72 CYP2C19 (0.58)
SCHEMBL340688 0.72 PKM (0.57) OPRM1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 OPRM1 511/4885PKM 4302/4885MAOA 2573/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.